SCHEMBL9522982

SCHEMBL9522982

CSc1ccc(C(=O)Nc2c(C)cccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PLK1 P53350 1/20 0.56
S1PR4 O95977 3/20 0.54
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CHRNA7 P36544 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
F10 P00742 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10398492 0.83 MAPT (0.68) KMT2APLK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL9523014 0.82 S1PR4 (0.69) KMT2AL3MBTL1S1PR4KDM4ESMN1; SMN2
SCHEMBL9522743 0.81 S1PR4 (0.58) KMT2AL3MBTL1S1PR4KDM4EALDH1A1
SCHEMBL4138460 0.80 POLB (0.67) KMT2AS1PR4KDM4ESMN1; SMN2POLB
Ameltolide SCHEMBL635392 0.79 S1PR4 (0.56) KMT2AL3MBTL1S1PR4KDM4ESMN1; SMN2
SCHEMBL2307872 0.79 S1PR4 (0.56) KMT2AL3MBTL1S1PR4KDM4EALDH1A1
SCHEMBL1815922 0.79 KDM4E (0.77) KMT2AS1PR4KDM4ESMN1; SMN2POLB
SCHEMBL9522953 0.79 S1PR4 (0.56) KMT2AL3MBTL1S1PR4KDM4ESMN1; SMN2
SCHEMBL11123393 0.79 RXFP1 (0.59) KMT2AS1PR4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9523578 0.78 S1PR4 (0.55) KMT2AL3MBTL1S1PR4KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279633-B1 ANTICONVULSANT AGENTS ELI LILLY AND COMPANY (US) 1993-04-07 EP disclosed
US-4981866-A BENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1991-01-01 US disclosed
US-4939163-A 4-substituted benzamide derivatives ELI LILLY AND COMPANY (US) 1990-07-03 US disclosed
US-4835181-A Anticonvulsant agents using cyano dimethylphenyl benzamides ELI LILLY AND COMPANY (US) 1989-05-30 US disclosed
EP-0279633-A2 Anticonvulsant agents ELI LILLY AND COMPANY (US) 1988-08-24 EP disclosed